李锋钰

教育情况

2003.09－2007.07 内蒙古大学数理基地专业学士学位

2007.09－2012.12 大连理工大学凝聚态物理博士学位

2010.06－2010.07 美国橡树岭国家实验室化学部 访问学生

2012.04－2012.05 美国内布拉斯加大学化学系访问学生

2009.08－2014.06 美国波多黎各大学化学物理博士学位

工作经历

2014.08－2016.07 美国波多黎各大学 化学系 博士后

2016.11－2017.12 内蒙古大学开云(中国)Kaiyun官方网站 讲师

2017.07－今      被聘为内蒙古大学博士研究生导师

2018.01－2021.12 内蒙古大学开云(中国)Kaiyun官方网站 特聘研究员

2022.01－今      内蒙古大学开云(中国)Kaiyun官方网站 教授

承担《固体物理》双语课程的教学工作、全英文国际在线课程

2018年开始研究生招生，目前已培养博士/硕士研究生5/6名，指导在读博士/硕士研究生3/9名（含1名老挝留学生）。1名博士研究生获得内蒙古自治区优秀博士学位论文，2名博士研究生获得内蒙古大学优秀博士学位论文，2名硕士研究生获得研究生国家奖学金。

计算物理 、计算化学、计算材料

目前主要研究：

1. 新颖纳米催化剂的设计与机理研究

2. 新颖锂电池和非锂电池电极材料的设计与研究

3. 新颖低维纳米材料的设计及其在纳米器件和能源方面的应用研究

4. 硼团簇、水团簇、金属内包富勒烯等团簇中的电子态

目前结题的科研项目：

1. 内蒙古大学高层次人才引进科研启动项目

资助号：21200-5175101

获批经费：300万

起止时间：2017年1月- 2021年12月。

2. 国家自然科学基金项目（海外及港澳学者合作研究基金）

资助号：11828401

获批经费：18万元；

项目执行期：2019年1月-2020年12月。

3. 国家自然科学基金项目

资助号：11704203

获批经费：28万元；

项目执行期：2018年1月-2020年12月

4. 自治区“草原人才”工程

获批经费：10万元；

项目执行期：2021年1月-2022年12月。

目前在研的科研项目：

1. 国家自然科学基金项目

资助号：12364038

获批经费：31万元；

项目执行期：2024年1月-2027年12月。

2. 国家自然科学基金项目

资助号：11964024

获批经费：43万元；

项目执行期：2020年1月-2023年12月。

3. 内蒙古大学“青年科技人才培育项目”

资助号：21200-5223708

获批经费：85万元；

项目执行期：2020年1月-2023年12月。

学术兼职

担任Journal of Materials Informatics和Advanced Powder Materials青年编委；担任Journal of Materials Informatics、Nanomaterials和Catalysts特刊客座编辑；担任计算纳米科学与新能源材料国际研讨会学术委员；为美国科学促进会旗下Nat. Commun.、Sci. Rep., 美国化学会旗下杂志J. Phys. Chem. Lett.、ACS Omega、J. Phys. Chem. C, 皇家化学会J. Mater. Chem. A、Nanoscale、Phys. Chem. Chem. Phys., 美国物理研究会旗下杂志J. Chem. Phys.、J. Appl. Phys., 艾尔斯维尔旗下Carbon、Phys. Lett. A、Vacuum, Wiley旗下Adv. Sci.、Small、ChemPhysChem等担任独立审稿人。

获奖、荣誉

1. 2023.12 Advanced Powder Materials期刊2023年优秀青年编辑

2. 2023.01 Journal of Materials Informatics期刊2022年度青编贡献奖

3. 2022.01内蒙古大学开云(中国)Kaiyun官方网站2021年度支部优秀党员

4. 2022.01内蒙古大学“骏马计划”B1岗入选者 (续聘)

5. 2021.01内蒙古大学“青年科技人才”

6. 2021.01自治区“草原英才”

7. 2020.03 Outstanding Reviewer for the Journal of Materials Chemistry A

8. 2019.01内蒙古大学“国家优秀青年科学基金”培育人选

9. 2017.01内蒙古大学首批“骏马计划”B1岗入选者

1. T. Han^#, S.Y. Wang^#, B. Han, Y. Liu, F. Li*, L. Wang*, Two-Dimensional Potassium Borides with Hidden Kagome-like Lattice: Ideal Topology, van Hove Singularities and Superconductivity. Phys. Rev. B 2023, 107, 235154. IF: 3.7 Q2 Top自然指数期刊 被内大新闻 (https://www.imu.edu.cn/info/1031/9830.htm) 报道.

2. L. Yu, F. Li*, J. Huang,* S. Bobby, M. William, Z. Chen*, Double-Atom Catalysts Featuring Inverse Sandwich Structure for CO₂ Reduction Reaction: A Synergetic First-Principles and Machine Learning Investigation. ACS Catal. 2023, 13, 9616–9628. IF: 13.7 Q1 Top 封面论文，被nanowerk (https://www.nanowerk.com/spotlight/spotid=63308.php)和XMOL (https://www.x-mol.com/news/859830) 等报道.

3. Y. Liu, Wenlong Li, F. Li*, Z. Chen*, Computational Discovery of Diverse Functionalities in Two-Dimensional Square Disulfide Monolayers: Auxetic Behavior, High Curie Temperature Ferromagnets, Electrocatalysts, and Photocatalysts. J. Mater. Chem. A 2023, 11(37), 20254–20269. IF: 11.9 Q1 Top

4. T. Han, J. Li, L. Liu, F. Li*, L.-W. Wang*, Accuracy Evaluation of Different Machine Learning Force Field Features. New J. Phys. 2023, 25, 093007. IF: 3.3 Q2 被龙讯旷腾报道 (https://mp.weixin.qq.com/s/JjkivADrvUdOE_C9qCuA9g).

5. S.K. Wang^#, S.Y. Wang^#, R. Liu, L. Sai, L. Wang*, F. Li*, Coexistence of Electronic and Phononic Dirac Points in TiB₂ Monolayer with Inverse Sandwich Motif. J. Phys. Chem. C 2023, 127(26), 12788–12794. IF: 4.177 Q2封面论文

6. L. Dong^#, L. Yu^#, X. Sun^#, X. Tang^#, X.-X. You, J. Tang, Z.-A. Nan, D. Cao, Y. Jia, S. Li, F. Li*, S. Guo*, H. Shen*, Ligand-Passivated Au/Cu Nanoclusters with Uncoordinated Sites Give Reaction Turnover Numbers up to 4×10⁴. Inorg. Chem. Front. 2023, 10(19), 5745–5751. IF: 7.0 Q1 Top

7. R. Liu, X. Lv*, F. Li*, Planar MN₄ (M = Zn, Cd) Monolayers: Anisotropic Dirac Semimetals of Ultrahigh Fermi Velocities. Phys. Status Solidi RRL 2023, 17, 2370003. IF: 3.277 Q2封面论文

8. Y. Liu, S.Y. Wang, F. Li*, A New 2D Janus Family with Multiple Properties: Auxetic Behavior, Strain-Tunable Photocatalyst, High Curie Temperature Ferromagnets, and Piezoelectric Quantum Anomalous Hall Insulator. Sci. China Mater. 2023, DOI: 10.1007/s40843-023-2708-4. IF: 8.1 Q1

9. J. Xiao, Z. Liu, F. Li*, Z. Zhao*, Homonuclear Multi-Atom Catalysts for CO₂ Electroreduction: A Comparison Density Functional Theory Study with Single-Atom Counterparts. J. Mater. Chem. A 2023, 11(46), 25662–25670. IF: 11.9 Q1 Top

10. C. Li, H. Luo, F. Li*, F. Li*, Atomic Insights into the S Poisoning Effects of Single-Atom Catalysts in Li-S Batteries. ACS Omega 2023, 8(48), 45348–45357. IF: 4.132 Q2

11. B. Han, F. Li*, Regulating the Electrocatalytic Performance for Nitrogen Reduction Reaction by Tuning the N Contents in Fe₃@N_xC_20−x (x = 0~4): A DFT Exploration. J. Mater. Inf. 2023, 3, 24. IF: pending

12. W. Guo, T. Zhao, F. Li*, Qinghai Cai, J. Zhao*, Silicon Atoms in Metal-Free Si₃C Monolayer Synergistically Boosting Efficient Nitrate Electrochemical Reduction to Ammonia: A Computational Study. Nanomaterials 2023, 13(21), 2890. IF: 5.3 Q2

13. L. Sai, X. Wu, F. Li*, J. Zhao*, Unprecedented Prediction of a B₁₆₀ Cluster Stuffed by Dual-Icosahedron B₁₂. ACS Omega 2022, 7, 42545–42549. IF: 4.132 Q2

14. L. Yu, F. Li*, Pt₂ Dimer Anchored Vertically in Defective BN Monolayer as an Efficient Catalyst for N₂ Reduction: A DFT Study. Catalysts 2022, 12, 1387. IF: 4.501 Q2

15. Z. Qin, Z. Wang, X. Li, Q. Cai, F. Li*, J. Zhao*, N-Doped CrS₂ Monolayer as a Highly-Efficient Catalyst for Oxygen Reduction Reaction: A Computational Study. Nanomaterials 2022, 12, 3012. IF: 5.719 Q2

16. Y. Yang, F. Li*, 2D Boron-Nitride Featuring B₄ Tetrahedrons: An Indirect Band Gap Semiconductor with High Electron Mobility. Mol. Catal. 2022, 531, 112662. IF: 5.089 Q2

17. Y. Dong, J. Li, F. Li*, J. Gong*, DFT Investigations on the Boron-Phosphorus Assembled Nanowires. J. Clust. Sci. 2022, 33, 2157–2166. IF: 3.447 Q2

18. J. Li^#, Y. Liu^#, L. Yu, H. Meng, J. Gu, F. Li*, Lithium Stabilizes Square Two-Dimensional Metal Sheets: A Computational Exploration. Nanoscale 2022, 14, 11770−11778. IF: 8.307 Q1

19. L. Sai, X. Wu, F. Li*, B₉₆: A Complete Core-Shell Structure with High Symmetry. Phys. Chem. Chem. Phys. (communication) 2022, 24, 15687−15690. IF: 3.945 Q2封面论文，被研之成理报道 (https://mp.weixin.qq.com/s/OE4zOGgA4oDnTJUbEx3ILg).

20. T. Han, Y. Liu, X. Lv*, F. Li*, Biphenylene Monolayer: A Novel Nonbenzenoid Carbon allotrope with Potential Applications as Anode Materials for High-performance Sodium Ion Batteries. Phys. Chem. Chem. Phys. (communication) 2022, 24, 10712–10716. IF: 3.945 Q2

21. H. Meng, B. Han, F. Li*, J. Zhao*, Z. Chen*, Understanding the CH₄ Conversion over Metal Dimers from First Principles. Nanomaterials 2022, 12, 1518. IF: 5.719 Q2

22. B. Han, H. Meng, F. Li*, Supported Bimetallic Trimers Fe₂M@NG: The Triple-Atom Catalysts for CO₂ Electro-Reduction. ACS Omega 2022, 7, 16080−16086. IF: 4.132 Q2

23. L. Yu, F. Li*, Metal Dimers Embedded Vertically in Defect-Graphene as Gas Sensors: A First-Principles Study. Phys. Chem. Chem. Phys. (communication), 2022, 24, 9842−9847. IF: 3.945 Q2

24. L. Yu, F. Li*, J. Zhao*, Z. Chen*, Revisiting Catalytic Performance of Metal Dimers for Oxygen Reduction Reaction via Magmatic Coupling from First Principles. Adv. Powder Mater. 2022, 1, 100031. IF: 23.4 Q1 被Advanced Powder Materials公众号推送 (https://mp.weixin.qq.com/s/WtSwc-o2RmDB7eCcn69k2A).

25. J. Zhou, Y. Yang, D. Hu, L. Kang*, C. Zhu, D. Tian, X. Lv, K. Govindan, Y. Guo. M. Xu, F. Li, G. Hong*, Z. Liu*, Controlled Growth of Ultrathin Ferromagnetic β-MnSe Semiconductor. SmartMat 2022, 3, 482−490. IF: 20.4

26. J. Jia, Z. Wang, Y. Liu, F. Li*, Y. Shang, Y. Liu*, Q. Cai, J. Zhao*, A Metallic Cu₂N Monolayer with Planar Tetracoordinated Nitrogen as a Promising Catalyst for CO₂ Electroreduction. J. Mater. Chem. A 2022, 10, 1560–1568. IF: 14.511 Q1被研之成理报道(https://mp.weixin.qq.com/s/eXVOqey_PmSQFxOXU9ShEQ).

27. Y. Sun^#, S. Wang^#, D. Jiao, F. Li*, S. Qiu, Z. Wang, Q. Cai, J. Zhao*, C. Sun*, Two-Dimensional Pt₂P₃ Monolayer: A Promising Bifunctional Electrocatalyst with Different Active Sites for Hydrogen Evolution and CO₂ Reduction. Chin. Chem. Lett. 2022, 33, 3987−3992. IF: 8.455 Q1

28. Z. Xu, X. Lv*, W. Gu, F. Li*, MC₂ (M = Y, Zr, Nb, and Mo) Monolayers Containing C₂ Dimers: Prediction of Anode Materials for High-performance Sodium Ion Batteries. Nanoscale Adv. 2021, 3, 6617–6627. IF: 4.553 Q2封面论文，本科生第一作者

29. Z. Wang, Y. Liu, F. Li*, J. Zhao*, Controlled 2H/1T Phase Transition in MoS₂ Monolayer by Strong Interface with M₂C MXene: A Computational Study. Phys. Chem. Chem. Phys. 2021, 23, 20107−20116. IF: 3.676 Q2

30. J. Yang^#, L. Yu^#, F. Li*, Computational Investigation of Two-Dimensional Borides with Planar Octacoordinated Main Group Element. Phys. Chem. Chem. Phys. (communication) 2021, 23, 15904−15907. 本科生第一作者

31. C. Jiang, Z. Lv, S. Lv, L. Sai*, S.K. Wang*, F. Li*, Theoretical Design of Novel Boron-Based Nanowires via Inverse Sandwich Clusters. Front. Chem. 2021, 9, 753617. IF: 5.221 Q2本科生第一作者

32. X. Qiao, X. Lv, Y. Dong, Y. Yang, F. Li*, Two-Dimensional V-VI Binary Nanosheets with Square Lattice: A Theoretical Investigation. Phys. Status Solidi B: Basic Solid State Physics 2021, 258, 2100178. IF: 1.710 Q3

33. X. Lan, L. Yu, X. Lv, F. Li*, 2D Transition Metal Silicides as Analogs of MXenes: A First-Principles Exploration. Phys. Status Solidi-RRL 2021, 15, 2100048. IF: 2.821 Q2 被Advanced Science News报道 (https://mp.weixin.qq.com/s/jKIiibhHhIrPb4NkYRgUaA)

34. Y. Dong, B. Xu, H. Hu, J. Yang, F. Li*, J. Gong*, Z. Chen*, C₉N₄ and C₂N₆S₃ Monolayers as Promising Anchoring Materials for Lithium-Sulfur Batteries: Weakening the Shuttle Effects via Optimizing Lithium Bonds. Phys. Chem. Chem. Phys. 2021, 23, 12958−12967. IF: 3.676 Q2封面论文

35. Y. Dong, X. Lv, L. Yu, F. Li*, J. Gong*, Two-Dimensional Phosphorus-Based Binary Nanosheets for Photocatalyzing Water Splitting: A First-Principles Study. Chem. Phys. Lett. 2021, 772, 138594. IF: 2.328 Q3

36. X. Lv, L. Yu, F. Li*, J. Gong*, Y. He, Z. Chen*, Penta-MS₂ (M = Mn, Ni, Cu/Ag and Zn/Cd) Monolayers with Negative Poisson's Ratios and Tunable Bandgaps as Water-Splitting Photocatalysts, J. Mater. Chem. A 2021, 9), 6993−7004. IF: 11.301 Q1 TOP

37. Y. Dong, S. Wang, C. Yu, F. Li*, J. Gong*, J. Zhao*, First-Principles Explorations on the P₈ and N₂ Assembled Nanowire and Nanosheet, Nano Ex. 2021, 2, 010004. IF: 4.0

38. Z. Shao, H. Meng, J. Sun, N. Guo, H. Xue,* K. Huang, F. He, F. Li,* Q. Wang,* Engineering of Amorphous Structure and Sulfur Defect into Ultrathin FeS Nanosheets to Achieve Superior Electrocatalytic Alkaline Oxygen Evolution, ACS Appl. Mater. & Interfaces, 2020, 12, 51846−51853. IF: 8.456 Q1

39. H. Meng, B. Han, F. Li,* J. Zhao,* Methane Conversion over C₂N-Supported Fe₂ Dimers, Catalysts 2020, 10, 973. IF: 3.520

40. B. Han, H. Meng, F. Li,* J. Zhao,* Fe₃ Cluster Anchored on the C₂N Monolayer for Efficient Electrochemical Nitrogen Fixation, Catalysts 2020, 10, 974. IF: 3.520

41. S. Wang, J. Gu, Y. Dong, L. Sai, F. Li,* A Super Stable Assembled P Nanowire with Variant Structural and Magnetic/Electronic Properties via Transition Metal Adsorption, Nanoscale 2020, 12, 12454−12461. IF: 6.970 Q1

42. X. Lv, F. Li,* J. Gong,* J. Gu, S. Lin, Z. Chen,* Metallic FeSe Monolayer as Anode Materials for Li and Non-Li Ion Batteries: A DFT Study, Phys. Chem. Chem. Phys. 2020, 22, 8902−8912. IF: 3.567

43. Q. Liu, F. Li,* J. Gong,* Theoretical Investigations on the Nanowires Assembled by the V₁@Si₁₂ Clusters. J. Clust. Sci. 2020, 31, 637−642. IF: 2.125

44. F. Li,* X. Lv, J. Gu, K. Tu, J. Gong, P. Jin,* Z. Chen,* Semiconducting SN₂ Monolayer with Three-Dimensional Auxetic Properties: A Global Minimum with Tetracoordinated Sulfurs, Nanoscale 2020, 12, 85–92. IF: 6.970 Q1封面论文

45. J. Zhao, Z. Chen, J. Zhao,* F. Li,* Single Mn Atom as a Promising Electrocatalyst for CO Reduction to C₂H₅OH and C₃H₆: A Computational Study, Appl. Surf. Sci. 2019, 498, 143868. IF: 6.182

46. F. Li,* X. Liu, Z. Chen,* 1+1ʹ > 2: Heteronuclear Bi-atom Catalyst Outperforms Its Homonuclear Counterparts for CO Oxidation, Small Methods 2019, 3, 1800480. IF: 12.13 Q1 被研之成理 (https://mp.weixin.qq.com/s/TQJ1cEyWYp4Fe04nseuYPQ) 和Materials Views (https://mp.weixin.qq.com/s/sEkxx8riFZQO0YoAIp6ZVA) 报道.

47. X. Lv, F. Li,* J. Gong,* Z. Chen,* The Dimensional and Hydrogenating Effect on the Electronic Properties of ZnSe Nanomaterials: A Computational Investigation, Phys. Chem. Chem. Phys. 2018, 20, 24453–24464. IF: 4.123 

48. F. Li, Z. Chen,* Cu Dimer Anchored C₂N Monolayer: Low-cost and Efficient Catalyst for CO Oxidation, Nanoscale 2018, 10, 15696–15705. IF: 7.760 Q1  

49. F. Li,* F. Yi, J. Gao, H. Zhang, Z. Chen,* Modulating the Electronic Properties of Perovskite via σ−π Interfacial Interactions: A Computational Study, APL Mater. 2018, 6, 114203. IF: 4.335 Q2封面论文 

50. Z. Wang, J. Zhao,* Cai Q., F. Li,* Computational Screening for High-Activity MoS₂ Monolayers-Based Catalysts for the Oxygen Reduction Reaction via Substitutional Doping with Transition Metal, J. Mater. Chem. A 2017, 5, 9842–9851. IF: 11.301 Q1 TOP